(2S)-N-[(2S)-2-ethylhexyl]-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide

Systemtic Name: (2S)-N-[(2S)-2-ethylhexyl]-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-[(2S)-2-ethylhexyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-N-[(2S)-2-ethylhexyl]-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-N-[(2S)-2-ethylhexyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-[(2S)-2-ethylhexyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C23H35N3O2S MolecularWeight: 417.6079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CC(OC2=CC=CC=C21)C(=O)N3CCCCC3

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1C[C@H](OC2=CC=CC=C21)C(=O)N3CCCCC3

InChI

InChI=1S/C23H35N3O2S/c1-3-5-11-18(4-2)16-24-23(29)26-17-21(22(27)25-14-9-6-10-15-25)28-20-13-8-7-12-19(20)26/h7-8,12-13,18,21H,3-6,9-11,14-17H2,1-2H3,(H,24,29)/t18-,21-/m0/s1